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Molecule
2-Pyrrolidinecarboxamide, Hydrochloride (1:1), (2S)-
CAS: 42429-27-6 · C5H11ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42429-27-6
- Molecular Formula
- C5H11ClN2O
- Molecular Mass
- 150.61 g/mol
Identifiers
CAS Registry Number
42429-27-6
SMILES
Cl.N=C(O)[C@@H]1CCCN1
InChI Key
CSKSDAVTCKIENY-WCCKRBBISA-N
InChI
InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1
Names and Synonyms
- 2-Pyrrolidinecarboxamide, Hydrochloride (1:1), (2S)- Synonym
- 2-Pyrrolidinecarboxamide, hydrochloride (1:1), (2S)- Synonym
- 2-Pyrrolidinecarboxamide, monohydrochloride, (S)- Synonym
- 2-Pyrrolidinecarboxamide, monohydrochloride, (2S)- Synonym
- L-Prolinamide hydrochloride Synonym
- Prolinamide hydrochloride Synonym
- (S)-Pyrrolidine-2-carboxamide hydrochloride Synonym
- (S)-2-Carbamoylpyrrolidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.61 g/mol | CAS Common Chemistry |
| 150.609 g/mol | RDKit | |
| 150.606 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(N)C1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CSKSDAVTCKIENY-WCCKRBBISA-N | CAS Common Chemistry |
| Melting Point | 182 °C | CAS Common Chemistry |
| Name | 2-Pyrrolidinecarboxamide, hydrochloride (1:1), (2S)- | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 0.69547 | RDKit |
| 0.6955 | RDKit | |
| Molar Refractivity | 38.62820000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 150.055990652 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 150.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11ClN2O.
